2,9-dimethylundec-5-ene

C13H26 — CID 123952487

IUPAC2,9-dimethylundec-5-ene
SMILESCCC(C)CCC=CCCC(C)C
InChIInChI=1S/C13H26/c1-5-13(4)11-9-7-6-8-10-12(2)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyGSTGGLNPGDWJRJ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 2,9-dimethylundec-5-ene

2,9-dimethylundec-5-ene (PubChem CID 123952487) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,9-dimethylundec-5-ene.

Molecular Properties

Compound Name2,9-dimethylundec-5-ene
PubChem CID123952487
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,9-dimethylundec-5-ene
SMILESCCC(C)CCC=CCCC(C)C
InChIInChI=1S/C13H26/c1-5-13(4)11-9-7-6-8-10-12(2)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyGSTGGLNPGDWJRJ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,11-dimethyltridec-6-ene
CID 123657363
(Z)-3-methylheptadec-6-ene
CID 159647190
11-methyltrideca-5,7-diene
CID 91357008
5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene
CID 139882070
2,8-dimethylnon-4-ene
CID 54058844
2,5-dimethylheptane;propane
CID 145235091
8-methyldeca-2,4-dienoic acid
CID 154133307
(E)-2,11-dimethyldodec-5-ene
CID 168834978
8-methyldec-3-ene
CID 54115614
(E,5R)-2,5-dimethylheptadec-8-ene
CID 11097499
5-methylhex-1-en-1-amine
CID 87108942
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylundec-5-ene?
The IUPAC name of 2,9-dimethylundec-5-ene (CID 123952487) is 2,9-dimethylundec-5-ene.
What is the SMILES notation for 2,9-dimethylundec-5-ene?
The canonical SMILES for 2,9-dimethylundec-5-ene is CCC(C)CCC=CCCC(C)C.
What is the InChIKey of 2,9-dimethylundec-5-ene?
The InChIKey is GSTGGLNPGDWJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-13(4)11-9-7-6-8-10-12(2)3/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 2,9-dimethylundec-5-ene?
2,9-dimethylundec-5-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylundec-5-ene is sourced from PubChem (CID 123952487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).